3-methyl-2-[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[[(2S)-5-oxo-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]butanoic acid CAS Name: 3-methyl-2-[[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxo-2-pyrrolidinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]butanoic acid Traditional Name: 2-[[(2S)-5-keto-1-tosyl-prolyl]amino]-3-methyl-butyric acid Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](CCC2=O)C(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C17H22N2O6S/c1-10(2)15(17(22)23)18-16(21)13-8-9-14(20)19(13)26(24,25)12-6-4-11(3)5-7-12/h4-7,10,13,15H,8-9H2,1-3H3,(H,18,21)(H,22,23)/t13-,15?/m0/s1